tricyclo[4.1.0.02,7]hept-1-ene

C7H8 — CID 91435442

IUPACtricyclo[4.1.0.02,7]hept-1-ene
SMILESC1CC2=C3C(C1)C23
InChIInChI=1S/C7H8/c1-2-4-6-5(3-1)7(4)6/h4,6H,1-3H2
InChIKeyBGUOWYSMCOVZPA-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.73
Rot. Bonds

About tricyclo[4.1.0.02,7]hept-1-ene

tricyclo[4.1.0.02,7]hept-1-ene (PubChem CID 91435442) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is tricyclo[4.1.0.02,7]hept-1-ene.

Molecular Properties

Compound Nametricyclo[4.1.0.02,7]hept-1-ene
PubChem CID91435442
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Nametricyclo[4.1.0.02,7]hept-1-ene
SMILESC1CC2=C3C(C1)C23
InChIInChI=1S/C7H8/c1-2-4-6-5(3-1)7(4)6/h4,6H,1-3H2
InChIKeyBGUOWYSMCOVZPA-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tricyclo[4,1,0,02,7]hept-1 (7)-ene
CID 86007305
7-Cyclopropylidenebicyclo[4.1.0]heptane
CID 134900897
Tricyclo[4.1.0.02,7]hept-2-ene
CID 13446844
Tricyclo[4.1.0.02,4]hept-1(6)-ene
CID 123390029
(3S)-3-ethyltricyclo[4.1.0.02,4]hept-1(6)-ene
CID 147143618
(6R)-7-cyclopropylbicyclo[4.1.0]hept-1(7)-ene
CID 147701373
Tricyclo[4.1.0.02,4]hept-1-ene
CID 148981974
Tricyclo[3.2.0.02,7]hept-1(5)-ene
CID 153993884

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.1.0.02,7]hept-1-ene?
The IUPAC name of tricyclo[4.1.0.02,7]hept-1-ene (CID 91435442) is tricyclo[4.1.0.02,7]hept-1-ene.
What is the SMILES notation for tricyclo[4.1.0.02,7]hept-1-ene?
The canonical SMILES for tricyclo[4.1.0.02,7]hept-1-ene is C1CC2=C3C(C1)C23.
What is the InChIKey of tricyclo[4.1.0.02,7]hept-1-ene?
The InChIKey is BGUOWYSMCOVZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-2-4-6-5(3-1)7(4)6/h4,6H,1-3H2.
What are the key properties of tricyclo[4.1.0.02,7]hept-1-ene?
tricyclo[4.1.0.02,7]hept-1-ene has a molecular weight of 92.14 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.1.0.02,7]hept-1-ene is sourced from PubChem (CID 91435442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).